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Chemical ID: 7077377
Chemical ID:
7077377
Name [?]:
5-[[5-(3,5-dichlorophenyl)-2-furyl]methylene]-4-(3,4-dimethylphenyl)imino-thiazolidin-2-one
SMILES [?]:
Cc1ccc(cc1C)N=C2C(=Cc3ccc(o3)c4cc(cc(c4)Cl)Cl)SC(=O)N2
InChi [?]:
InChI=1/C22H16Cl2N2O2S/c1-12-3-4-17(7-13(12)2)25-21-20(29-22(27)26-21)11-18-5-6-19(28-18)14-8-15(23)10-16(24)9-14/h3-11H,1-2H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,14,15,6,19,23,21,12,2,7,18,20,22,5,13,16,11,10,27,25,24,9,29,28,17,26/E:(8,9)(15,16)(23,24)/rA:29nCCCCCCCCNCCCCCCCOCCCCCCClClSCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s22;s20;s11;s26;d27;s10s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16Cl2N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8811 |
Area: | 587.368 |
Solvation: | -2.80313 |
Coulombic: | -36.255 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 443.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.86 |
LogP (Chemaxon): | 6.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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